3-butyl-2-oxidanidyl-1-phenyl-pyrazol-2-ium

Systemtic Name: 3-butyl-2-oxidanidyl-1-phenyl-pyrazol-2-ium Openeye Name: 3-butyl-2-oxido-1-phenyl-pyrazol-2-ium CAS Name: 3-butyl-2-oxido-1-phenylpyrazol-2-ium IUPAC Name: 3-butyl-2-oxido-1-phenylpyrazol-2-ium Traditional Name: 3-butyl-2-oxido-1-phenyl-pyrazol-2-ium Formula: C13H16N2O MolecularWeight: 216.27894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](N(C=C1)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCCC1=[N+](N(C=C1)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C13H16N2O/c1-2-3-7-13-10-11-14(15(13)16)12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3